Chem
J-GLOBAL ID：200907004377336807   Nikkaji number：J785.492G

NCX-4016

NCX-4016
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C16H13[N+]O6[O-]
Molecular formula furigana： C16-H13-N-O7
Molecular weight： 331.280
InChI： InChI=1S/C16H13NO7/c1-11(18)23-15-9-5-3-7-13(15)16(19)24-14-8-4-2-6-12(14)10-22-17(20)21/h2-9H,10H2,1H3
InChI key： SGYYAQBLQPNUIL-UHFFFAOYSA-N
SMILES： CC(=O)Oc1ccccc1C(=O)Oc1ccccc1CO[N+](=O)[O-]
Systematic name  (4)：
  • 2-アセトキシ安息香酸2-[(ニトロオキシ)メチル]フェニル
  • 2-(アセチルオキシ)安息香酸2-(ニトロオキシメチル)フェニル
  • 2-[(ニトロオキシ)メチル]フェニル 2-(アセチルオキシ)ベンゾアート
  • 2-[(nitrooxy)methyl]phenyl 2-(acetyloxy)benzoate
Other name (4)：
  • NCX-4016
  • 2-Acetoxybenzoic acid 2-[(nitrooxy)methyl]phenyl ester
  • 2-(Acetyloxy)benzoic acid 2-(nitrooxymethyl)phenyl ester
  • NCX-4060
CAS registry number： 175033-36-0
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